Geometry & MOs

Info

ID:	24742
PubChem CID:	612850
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	264.066555
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	6.11
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5-chloro-2-methylanilino)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC1=C(C=CC(=C1)Cl)C)C#N

DOS

IR

Vibrations